Stephen F. Nelsen

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Resonance Raman scattering studies in the extended near-infrared region show that six modes are coupled to the intramolecular charge-transfer transition in the mixed-valence radical cation diazatetracyclodiene. Spectral analysis based on time-dependent scattering theories shows that all six modes make substantial contributions to the vibrational(More)
Electron-transfer cross-reactions between neutral molecules and their radical cations spanning a wide range of structural type and intrinsic reactivity have been analyzed using classical Marcus theory. The principal factor found to govern intrinsic reactivity is the inner-shell bond reorganization energy. The HOMO-LUMO overlap of alkyl groups on reacting(More)
Electron transfer in the cations of bis(hydrazines), bridged by six different π-systems (compounds 1–6) is studied using ab initio and density functional theory (DFT) methods. Due to ionization from an antibonding combination of the lone-pair orbitals of the nitrogens in one of the hydrazine units, conjugation is introduced in the N—N bond of that unit.(More)
Resonance Raman and absorption spectra of 9,10-bis(2-tert-butyl-2,3-diazabicyclo[2.2.2]oct-3-yl)-anthracene (2) are measured and analyzed. The contribution of the individual vibrational normal modes to the reorganization energy is investigated. Excited-state mixed valence in this system is analyzed using density functional theory electronic structure(More)
The radical cations of properly designed bishydrazines allow comparison of observed and calculated electron transfer rate constants. These compounds have rate constants small enough to be measured by dynamic electron spin resonance spectroscopy and show charge transfer bands corresponding to vertical excitation from the energy well for the charge occurring(More)
a We describe the logical flaws, experimental contradictions, and unfortunate educational repercussions of common student misconceptions regarding the shapes and properties of lone pairs, inspired by overemphasis on ''valence shell electron pair repulsion'' (VSEPR) rationalizations in current freshman-level chemistry textbooks. VSEPR-style representations(More)
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